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Compound Detail

CHEMBL5792035

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COc1ccnc2[nH]cc(C3CCN(c4cc(C(=O)N[C@H](C)CO)nc(OC[C@@H](C)OC)n4)CC3)c12

Basic Information

ChEMBL ID CHEMBL5792035
Phase Preclinical
Structure Type MOL
InChI Key XRNMIFJWWXQMTP-HZPDHXFCSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

498.6
MW (Da)
2.27
ALogP
9
HBA
3
HBD
134.7
PSA (Ų)
0.38
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H34N6O5
MW 498.58
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -0.75

Activity Summary

Ki 1 meas. best 10.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase receptor UFO
CHEMBL4895
Ki 10.85 10.85 0.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine